Monomers

N-Allylstearamide

Identifiers

IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
   -9.4602   -1.3170    2.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0622   -0.9650    2.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0707   -1.7823    2.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6477   -1.4654    2.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4496   -1.7716    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424   -1.4714    0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260   -0.0276    0.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004    0.3080    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    0.0230   -1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6665    0.3807   -1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.4239   -0.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7566   -0.0582   -1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    1.3980   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963    1.6303   -1.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9019    3.0328   -1.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2517    3.3791   -1.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4485    2.7335   -1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990    1.3163   -1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439    0.7036   -2.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6032    0.5302   -0.5873 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8730   -0.8681   -0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6003   -1.6135   -0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5023   -2.5749    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4869   -1.5123    3.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8838   -2.1798    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0856   -0.4137    2.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0345   -1.2129    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8867    0.1142    2.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1714   -1.5105    3.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2887   -2.8627    2.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9537   -2.1078    3.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4341   -0.4094    2.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7058   -2.8430    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1119   -1.1382    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9607   -1.7370   -0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019   -2.1489    1.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414    0.2334    1.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4117    0.5961    0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    1.3669    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6589   -0.3701    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218   -1.0715   -1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696    0.6326   -1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977    0.2437   -2.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    1.4828   -1.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -1.5052   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2646   -0.2075    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579   -0.3439   -2.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930   -0.6747   -0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    1.6369    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    2.0481   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.9674   -0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338    1.2792   -2.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872    3.6451   -1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    3.4353   -0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    3.3255   -2.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4153    4.5080   -1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3377    3.3265   -1.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5867    2.9291    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1063    0.9889    0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -0.9815   -1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274   -1.2698   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728   -1.3639   -1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3156   -2.8508    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5795   -3.1411    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 20 59  1  0
 21 60  1  0
 21 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers